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870450-56-9 | 2-Propenoic acid, 2-methyl-, 2-[(1-ethylcyclopentyl)oxy]-2-oxoethyl ester
CAS No: 870450-56-9 Catalog No: AG004GJE MDL No:
Product Description
Catalog Number:
AG004GJE
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-[(1-ethylcyclopentyl)oxy]-2-oxoethyl ester
CAS Number:
870450-56-9
Molecular Formula:
C13H20O4
Molecular Weight:
240.2955
IUPAC Name:
[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-methylprop-2-enoate
InChI:
InChI=1S/C13H20O4/c1-4-13(7-5-6-8-13)17-11(14)9-16-12(15)10(2)3/h2,4-9H2,1,3H3
InChI Key:
KHZBKVHVOLBHFJ-UHFFFAOYSA-N
SMILES:
CCC1(CCCC1)OC(=O)COC(=O)C(=C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.299g/mol
Monoisotopic Mass:
240.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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